PatWalters
/ split_complex_v2.py
Created
October 2, 2018 01:20
An improved script to extract a ligand from a protein-ligand complex and assign bond orders
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| #!/usr/bin/env python | |
| import sys | |
| from prody import * | |
| from rdkit import Chem | |
| from rdkit.Chem import AllChem | |
| from io import StringIO | |
| import pypdb | |